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SCHEMBL3147970

SCHEMBL3147970

CC(C)(C)OC(=O)ON1CCC(N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(Cn3cncn3)(C3CCCCC3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 18/20 0.68
▸ MC3R P41968 8/20 0.63
▸ MC1R Q01726 8/20 0.63
▸ MC5R P33032 7/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3156665 0.94 MC4R (0.68) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL3145153 0.91 MC4R (0.65) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL3146775 0.91 MC4R (0.70) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL3143486 0.88 MC4R (0.78) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL5887849 0.87 MC4R (0.78) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL5887845 0.87 MC4R (0.78) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL3153936 0.86 MC4R (0.70) MC4RMC3RMC1RMC5RCYP3A4
SCHEMBL3142002 0.86 MC4R (0.74) MC4RMC3RMC1RMC5RCYP3A4
Bicarbonate SCHEMBL3149384 0.86 MC4R (0.76) MC4RMC3RMC1RMC5RALDH1A1
SCHEMBL3157379 0.86 MC4R (0.69) MC4RMC3RMC1RMC5RCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 — — EP claimed